(E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine

C12H22N4 — CID 177362676

IUPAC(E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine
SMILESC=C(C)NC(/C=N/C1CCN(C)CC1)=C/N
InChIInChI=1S/C12H22N4/c1-10(2)15-12(8-13)9-14-11-4-6-16(3)7-5-11/h8-9,11,15H,1,4-7,13H2,2-3H3/b12-8+,14-9+
InChIKeyYHFKIIXKSOGHOC-MXOVAJDFSA-N
MW222.34 g/mol
LogP1.07
Rot. Bonds4

About (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine

(E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine (PubChem CID 177362676) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine
PubChem CID177362676
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine
SMILESC=C(C)NC(/C=N/C1CCN(C)CC1)=C/N
InChIInChI=1S/C12H22N4/c1-10(2)15-12(8-13)9-14-11-4-6-16(3)7-5-11/h8-9,11,15H,1,4-7,13H2,2-3H3/b12-8+,14-9+
InChIKeyYHFKIIXKSOGHOC-MXOVAJDFSA-N
XLogP1.07
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine (CID 177362676) is (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine is C=C(C)NC(/C=N/C1CCN(C)CC1)=C/N.
What is the InChIKey of (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine?
The InChIKey is YHFKIIXKSOGHOC-MXOVAJDFSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)15-12(8-13)9-14-11-4-6-16(3)7-5-11/h8-9,11,15H,1,4-7,13H2,2-3H3/b12-8+,14-9+.
What are the key properties of (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine?
(E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine is sourced from PubChem (CID 177362676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).